1-METHYL-2-PHENOXYETHYLAMINE(35205-54-0) IR1
Product Name1-METHYL-2-PHENOXYETHYLAMINE
CAS35205-54-0
Molecular FormulaC9H13NO
Molecular Weight151.21
InChIInChI=1S/C9H13NO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey IKYFHRVPKIFGMH-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1)C(N)C
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MassMS-NW-5457 1-methyl-2-phenoxyethylamine C9H13NO (Mass of molecular ion: 151)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.6 27.0 1.1 28.0 1.7 30.0 2.5 39.0 3.7 41.0 4.4 42.0 4.0 43.0 3.1 44.0 100.0 45.0 2.8 50.0 1.0 51.0 3.5 56.0 1.2 57.0 2.8 58.0 7.8 65.0 2.2 66.0 1.1 77.0 5.1 78.0 1.2 94.0 4.2 108.0 1.9 151.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H13 N O 0.04 ml : 0.5 ml CDCl3 1-methyl-2-phenoxyethylamine 
Assign. Shift(ppm)
A 7.25 B 6.93 C 6.90 D *1 3.832 E *1 3.663 F 3.315 G 1.55 J 1.152 J(D,E) = 8.8 HZ. J(D,F) = 4.5 HZ. J(E,F) = 7.2 HZ. J(F,J) = 6.4 HZ.
Hz ppm Int.660.00 7.370 78 659.44 7.364 75 659.00 7.359 93 657.06 7.337 63 654.56 7.309 30 653.56 7.298 63 652.75 7.289 159 651.56 7.276 167 650.75 7.267 204 649.69 7.255 188 648.50 7.241 56 646.50 7.219 77 644.88 7.201 92 644.06 7.192 199 643.25 7.183 216 641.13 7.159 57 628.69 7.020 50 627.69 7.009 78 627.13 7.003 107 626.13 6.992 150 623.63 6.964 81 621.63 6.941 275 621.19 6.937 337 619.00 6.912 203 615.13 6.869 75 614.56 6.862 75 614.06 6.857 91 613.19 6.847 190 612.75 6.842 180 612.00 6.834 182 352.00 3.931 77 347.56 3.881 109 343.19 3.832 218 338.75 3.783 246 334.88 3.740 205 327.69 3.659 269 326.06 3.641 56 318.88 3.561 128 305.56 3.412 70 301.13 3.363 53 299.19 3.341 70 298.38 3.332 52 294.69 3.291 58 293.94 3.283 41 292.81 3.270 33 292.00 3.261 52 287.50 3.211 41 138.81 1.550 328 106.25 1.187 1000 99.88 1.116 914
in CDCl3
liquid film
